3-(Thiophen-2-yl)acrylic acid 3-(2-噻吩)丙烯酸

CAS 1124-65-8 MFCD00005455

化学结构图

1124-65-8
SMILES: O=C(O)/C=C/c1cccs1

化学属性

Mol. FormulaC7H6O2S
Mol. Weight154.19
Melting Point145-148°C
TSCANo
Boiling Point298.9±15.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-(Thiophen-2-yl)acrylic acid
CAS Number1124-65-8
Alfabeta NameTHIENYLACRYLICACID 32()--
MDL NumberMFCD00005455
Synonym 3-(Thien-2-yl)acrylic acid {LY} 3-(Thien-2-yl)acrylic acid {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(Thien-2-yl)acrylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number214-402-0
Beilstein Registry Number18,301
PubChem Substance ID735981
Chemical Name Translation3-(2-噻吩)丙烯酸
Reaxys-RN2590
InChIKeyKKMZQOIASVGJQE-ARJAWSKDSA-N
LabNetwork Molecule IDLN00221358
InChIInChI=1S/C7H6O2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+
Canonical SMILESOC(/C=C/C1=CC=CS1)=O
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分类

  • {SNA} Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Thiophenes
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
WGK Germany3
GHS Symbol
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
3
H-bond Donors
1
LogP
1

其他信息

  • Sigma Aldrich:1124-65-8(sigmaaldrich)
  • MOL 文件:1124-65-8.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiophenes 噻吩
  5. C7 to C9 - Thiophenes

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